7-[3-benzo[c]carbazol-7-yl-5-[2-phenyl-6-(4-phenylphenyl)-1,6-dihydropyrimidin-4-yl]phenyl]benzo[c]carbazole

C60H40N4 — CID 137239721

IUPAC7-[3-benzo[c]carbazol-7-yl-5-[2-phenyl-6-(4-phenylphenyl)-1,6-dihydropyrimidin-4-yl]phenyl]benzo[c]carbazole
SMILESC1=C(c2cc(-n3c4ccccc4c4c5ccccc5ccc43)cc(-n3c4ccccc4c4c5ccccc5ccc43)c2)N=C(c2ccccc2)NC1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C60H40N4/c1-3-15-39(16-4-1)40-27-29-43(30-28-40)52-38-53(62-60(61-52)44-19-5-2-6-20-44)45-35-46(63-54-25-13-11-23-50(54)58-48-21-9-7-17-41(48)31-33-56(58)63)37-47(36-45)64-55-26-14-12-24-51(55)59-49-22-10-8-18-42(49)32-34-57(59)64/h1-38,52H,(H,61,62)
InChIKeyNOIHKUOZJKIDPJ-UHFFFAOYSA-N
MW817.01 g/mol
LogP14.99
Rot. Bonds6

About 7-[3-benzo[c]carbazol-7-yl-5-[2-phenyl-6-(4-phenylphenyl)-1,6-dihydropyrimidin-4-yl]phenyl]benzo[c]carbazole

7-[3-benzo[c]carbazol-7-yl-5-[2-phenyl-6-(4-phenylphenyl)-1,6-dihydropyrimidin-4-yl]phenyl]benzo[c]carbazole (PubChem CID 137239721) has the molecular formula C60H40N4 and a molecular weight of 817.01 g/mol. Its IUPAC name is 7-[3-benzo[c]carbazol-7-yl-5-[2-phenyl-6-(4-phenylphenyl)-1,6-dihydropyrimidin-4-yl]phenyl]benzo[c]carbazole.

Molecular Properties

Compound Name7-[3-benzo[c]carbazol-7-yl-5-[2-phenyl-6-(4-phenylphenyl)-1,6-dihydropyrimidin-4-yl]phenyl]benzo[c]carbazole
PubChem CID137239721
Molecular FormulaC60H40N4
Molecular Weight817.01 g/mol
Exact Mass816.33
IUPAC Name7-[3-benzo[c]carbazol-7-yl-5-[2-phenyl-6-(4-phenylphenyl)-1,6-dihydropyrimidin-4-yl]phenyl]benzo[c]carbazole
SMILESC1=C(c2cc(-n3c4ccccc4c4c5ccccc5ccc43)cc(-n3c4ccccc4c4c5ccccc5ccc43)c2)N=C(c2ccccc2)NC1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C60H40N4/c1-3-15-39(16-4-1)40-27-29-43(30-28-40)52-38-53(62-60(61-52)44-19-5-2-6-20-44)45-35-46(63-54-25-13-11-23-50(54)58-48-21-9-7-17-41(48)31-33-56(58)63)37-47(36-45)64-55-26-14-12-24-51(55)59-49-22-10-8-18-42(49)32-34-57(59)64/h1-38,52H,(H,61,62)
InChIKeyNOIHKUOZJKIDPJ-UHFFFAOYSA-N
XLogP14.99
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.01
LogP ≤ 514.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-[4-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)phenyl]-3-phenanthren-3-ylbenzo[c]carbazole
CID 137214899
7-[4-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)phenyl]-3-phenanthren-2-ylbenzo[c]carbazole
CID 137214905
10-[4-[4-(2,6-diphenyl-1,6-dihydropyrimidin-4-yl)phenyl]phenyl]-10,14,21-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
CID 163455367
7-(2,6-diphenyl-4-pyridinyl)benzo[c]carbazole
CID 70836984
7-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]benzo[c]carbazole
CID 20781618
12-[4-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 167032341
12-[4-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 166915678
7-[3-[4-(2-dibenzothiophen-4-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]benzo[c]carbazole
CID 166915900
7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3-naphthalen-1-ylbenzo[c]carbazole
CID 137214887
7-phenyl-10-[7-(3-phenylphenyl)benzo[c]carbazol-10-yl]benzo[c]carbazole
CID 129290171
20-[3-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)phenyl]-7-phenyl-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene
CID 144645274
7-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-2-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
CID 137214902

Frequently Asked Questions

What is the IUPAC name of 7-[3-benzo[c]carbazol-7-yl-5-[2-phenyl-6-(4-phenylphenyl)-1,6-dihydropyrimidin-4-yl]phenyl]benzo[c]carbazole?
The IUPAC name of 7-[3-benzo[c]carbazol-7-yl-5-[2-phenyl-6-(4-phenylphenyl)-1,6-dihydropyrimidin-4-yl]phenyl]benzo[c]carbazole (CID 137239721) is 7-[3-benzo[c]carbazol-7-yl-5-[2-phenyl-6-(4-phenylphenyl)-1,6-dihydropyrimidin-4-yl]phenyl]benzo[c]carbazole.
What is the SMILES notation for 7-[3-benzo[c]carbazol-7-yl-5-[2-phenyl-6-(4-phenylphenyl)-1,6-dihydropyrimidin-4-yl]phenyl]benzo[c]carbazole?
The canonical SMILES for 7-[3-benzo[c]carbazol-7-yl-5-[2-phenyl-6-(4-phenylphenyl)-1,6-dihydropyrimidin-4-yl]phenyl]benzo[c]carbazole is C1=C(c2cc(-n3c4ccccc4c4c5ccccc5ccc43)cc(-n3c4ccccc4c4c5ccccc5ccc43)c2)N=C(c2ccccc2)NC1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 7-[3-benzo[c]carbazol-7-yl-5-[2-phenyl-6-(4-phenylphenyl)-1,6-dihydropyrimidin-4-yl]phenyl]benzo[c]carbazole?
The InChIKey is NOIHKUOZJKIDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N4/c1-3-15-39(16-4-1)40-27-29-43(30-28-40)52-38-53(62-60(61-52)44-19-5-2-6-20-44)45-35-46(63-54-25-13-11-23-50(54)58-48-21-9-7-17-41(48)31-33-56(58)63)37-47(36-45)64-55-26-14-12-24-51(55)59-49-22-10-8-18-42(49)32-34-57(59)64/h1-38,52H,(H,61,62).
What are the key properties of 7-[3-benzo[c]carbazol-7-yl-5-[2-phenyl-6-(4-phenylphenyl)-1,6-dihydropyrimidin-4-yl]phenyl]benzo[c]carbazole?
7-[3-benzo[c]carbazol-7-yl-5-[2-phenyl-6-(4-phenylphenyl)-1,6-dihydropyrimidin-4-yl]phenyl]benzo[c]carbazole has a molecular weight of 817.01 g/mol, XLogP of 14.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-benzo[c]carbazol-7-yl-5-[2-phenyl-6-(4-phenylphenyl)-1,6-dihydropyrimidin-4-yl]phenyl]benzo[c]carbazole is sourced from PubChem (CID 137239721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).